CID 209335

Piperidine, 1-(3-(p-phenoxymethylphenyl)propyl)-

Structural Information

Molecular Formula
C21H27NO
SMILES
C1CCN(CC1)CCCC2=CC=C(C=C2)COC3=CC=CC=C3
InChI
InChI=1S/C21H27NO/c1-3-9-21(10-4-1)23-18-20-13-11-19(12-14-20)8-7-17-22-15-5-2-6-16-22/h1,3-4,9-14H,2,5-8,15-18H2
InChIKey
AKNHWFMGTNQXEB-UHFFFAOYSA-N
Compound name
1-[3-[4-(phenoxymethyl)phenyl]propyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.20926 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.21654 177.0
[M+Na]+ 332.19848 179.5
[M-H]- 308.20198 183.2
[M+NH4]+ 327.24308 189.2
[M+K]+ 348.17242 174.1
[M+H-H2O]+ 292.20652 166.2
[M+HCOO]- 354.20746 194.8
[M+CH3COO]- 368.22311 185.8
[M+Na-2H]- 330.18393 179.9
[M]+ 309.20871 173.5
[M]- 309.20981 173.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.